UCSF

ZINC15961146

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 0.54 -12.06 2 7 0 90 364.405 4
Hi High (pH 8-9.5) 2.89 2.3 -53.84 1 7 -1 93 363.397 4
Hi High (pH 8-9.5) 2.89 1.34 -51.77 1 7 -1 93 363.397 4
Hi High (pH 8-9.5) 2.44 1.95 -48.3 1 7 -1 90 363.397 4
Lo Low (pH 4.5-6) 1.81 5.93 -89.29 4 7 2 86 366.421 5
Lo Low (pH 4.5-6) 1.98 5.97 -50.86 3 7 1 88 365.413 4
Lo Low (pH 4.5-6) 2.89 3.76 -56.32 3 7 1 91 365.413 4
Lo Low (pH 4.5-6) 2.89 2.81 -49.12 3 7 1 91 365.413 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )